1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole]

C18H21N3O — CID 25060564

IUPAC1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole]
SMILESCn1ncc2c1C=COC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c1-20-17-7-12-22-18(16(17)13-19-20)8-10-21(11-9-18)14-15-5-3-2-4-6-15/h2-7,12-13H,8-11,14H2,1H3
InChIKeyWKAATZPYAHMPRH-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.91
Rot. Bonds2

About 1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole]

1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole] (PubChem CID 25060564) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole].

Molecular Properties

Compound Name1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole]
PubChem CID25060564
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole]
SMILESCn1ncc2c1C=COC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c1-20-17-7-12-22-18(16(17)13-19-20)8-10-21(11-9-18)14-15-5-3-2-4-6-15/h2-7,12-13H,8-11,14H2,1H3
InChIKeyWKAATZPYAHMPRH-UHFFFAOYSA-N
XLogP2.91
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole]?
The IUPAC name of 1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole] (CID 25060564) is 1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole].
What is the SMILES notation for 1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole]?
The canonical SMILES for 1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole] is Cn1ncc2c1C=COC21CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole]?
The InChIKey is WKAATZPYAHMPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20-17-7-12-22-18(16(17)13-19-20)8-10-21(11-9-18)14-15-5-3-2-4-6-15/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of 1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole]?
1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole] has a molecular weight of 295.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1'-methylspiro[piperidine-4,4'-pyrano[3,4-d]pyrazole] is sourced from PubChem (CID 25060564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).